Geometry & MOs

Info

ID:	126256
PubChem CID:	50957895
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	50.27
Dipole, Da:	7.33
IP(EA), eV:	-9.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[5-[[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]pyrimidin-2-yl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=N1)CC2C3=CC=CC=C3C(=O)N2)C4=CC=CC=N4

DOS

IR

Vibrations